Sugi Predict

Sugi Predict / Compounds / SCHEMBL5154446

SCHEMBL5154446

SCHEMBL5154446

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CCC(O)C(O)(O)[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 6/20 0.69
▸ GPBAR1 Q8TDU6 5/20 0.69
▸ CASP7 P55210 3/20 0.69
▸ HSD17B10 Q99714 3/20 0.69
▸ TDP1 Q9NUW8 3/20 0.69
▸ TP53 P04637 2/20 0.69
▸ MAPK1 P28482 2/20 0.69
▸ BLM P54132 2/20 0.69
▸ EPHA2 P29317 2/20 0.69
▸ AKR1B10 O60218 2/20 0.69
▸ AKR1B1 P15121 2/20 0.69
▸ LMNA P02545 2/20 0.69
▸ USP2 O75604 2/20 0.69
▸ MDM4 O15151 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ MAPT P10636 1/20 0.69
▸ HSPD1 P10809 1/20 0.69
▸ TSHR P16473 1/20 0.69
▸ PTPN2 P17706 1/20 0.69
▸ PTPN1 P18031 1/20 0.69

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL977813 1.00 VDR (0.69) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL15156945 1.00 VDR (0.69) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL22572509 0.95 GPBAR1 (0.62) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL6064363 0.94 GPBAR1 (0.61) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL4331335 0.90 GPBAR1 (0.73) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL6064374 0.88 GPBAR1 (0.56) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL22495528 0.88 GPBAR1 (0.56) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL16906787 0.87 OSBP (0.53) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL2155391 0.86 CYP2D6 (0.63) TP53LMNAUSP2MEN1KMT2A
SCHEMBL16227067 0.86 CYP2D6 (0.63) TP53LMNAUSP2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019055268-A2 DRUG DELIVERY SYSTEM BARANOWITZ STEVEN (US) 2019-03-21 — — WO disclosed
US-20170071966-A1 PHARMACEUTICAL COMPOSITION BARANOWITZ STEVEN (US) 2017-03-16 — — US disclosed
WO-2015175479-A1 PHARMACEUTICAL COMPOSITION BARANOWITZ STEVEN (US) 2015-11-19 — — WO disclosed
EP-1751145-A4 PAROXETINE CHOLATE OR CHOLIC ACID DERIVATIVE SALTS, AND COMPOSITION COMPRISING PAROXETINE AND CHOLIC ACID OR CHOLIC ACID DERIVATIVES CHONG KUN DANG PHARM CORP (KR) 2007-08-01 — — EP disclosed
EP-1751145-A1 PAROXETINE CHOLATE OR CHOLIC ACID DERIVATIVE SALTS, AND COMPOSITION COMPRISING PAROXETINE AND CHOLIC ACID OR CHOLIC ACID DERIVATIVES Chong Kun Dang Pharmaceutical Corp. (KR) 2007-02-14 — — EP disclosed
WO-2006033505-A1 PAROXETINE CHOLATE OR CHOLIC ACID DERIVATIVE SALTS, AND COMPOSITION COMPRISING PAROXETINE AND CHOLIC ACID OR CHOLIC ACID DERIVATIVES CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2006-03-30 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170071966-A1 PHARMACEUTICAL COMPOSITION HMGCR, NPC1L1, CETP VDR 1023/4885GPBAR1 78/4885CASP7 992/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.